LigandBoxID:D01321

NAME:Zotepine;Setous
SMILES: CN(CCOC2Cc1ccccc1Sc3ccc(cc32)[Cl])C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01321

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H19NOSCl 332.874 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -4.3396 -10.6222
LOGS LOGP    
-5.3034 4.8952    

Links to the same SMILES compounds

PUBCHEM 23262 6433491


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